(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol

C21H22N2OS — CID 123577001

IUPAC(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol
SMILESCN1CCC(c2ccccc2)C1C(O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C21H22N2OS/c1-23-13-11-17(15-6-3-2-4-7-15)20(23)21(24)19-10-9-18(25-19)16-8-5-12-22-14-16/h2-10,12,14,17,20-21,24H,11,13H2,1H3
InChIKeyYRSKKRMHJIZKCG-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.33
Rot. Bonds4

About (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol

(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol (PubChem CID 123577001) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol
PubChem CID123577001
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol
SMILESCN1CCC(c2ccccc2)C1C(O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C21H22N2OS/c1-23-13-11-17(15-6-3-2-4-7-15)20(23)21(24)19-10-9-18(25-19)16-8-5-12-22-14-16/h2-10,12,14,17,20-21,24H,11,13H2,1H3
InChIKeyYRSKKRMHJIZKCG-UHFFFAOYSA-N
XLogP4.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 22677672
(4R,5R)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one;hydrochloride
CID 66709280
(4R,5R)-5-[[5-(3-aminophenyl)thiophen-2-yl]-hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 66708859
3-[[(2R)-1-methyl-3-phenylpyrrolidin-2-yl]methoxy]pyridine
CID 169279292
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone
CID 154840190
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
CID 70832725
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
CID 142621429
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol?
The IUPAC name of (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol (CID 123577001) is (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol.
What is the SMILES notation for (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol?
The canonical SMILES for (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol is CN1CCC(c2ccccc2)C1C(O)c1ccc(-c2cccnc2)s1.
What is the InChIKey of (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol?
The InChIKey is YRSKKRMHJIZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-23-13-11-17(15-6-3-2-4-7-15)20(23)21(24)19-10-9-18(25-19)16-8-5-12-22-14-16/h2-10,12,14,17,20-21,24H,11,13H2,1H3.
What are the key properties of (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol?
(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol has a molecular weight of 350.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol is sourced from PubChem (CID 123577001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).